Hi Ross,
Thank you so much for the detailed information!
Please find below my additional questions regarding upgrade of my HP desktop:
1- To fix the power problem, I am going to change the default 600W on
the 1000W power suply, assuming that I am going to build a 2 GTX 1080
or TITAN workstation.
2 - Is it good to use a default CPU Intel Xeon E5-1620 3.60Ghz 10MB
1600 4C. Does the 4 cpu cores in principle support 4 GPUs?
3 - Should I install an additional cooling within the desktop assuming
that there are no additional hard-drives inside.
Many thanks for the help!
With best regards,
Gleb
2017-07-12 14:59 GMT+02:00 Ross Walker <ross.rosswalker.co.uk>:
> Hi Gleb,
>
> Looking at the specs for a Z420 here:
>
> http://www8.hp.com/h20195/v2/GetPDF.aspx/c04111468.pdf <http://www8.hp.com/h20195/v2/GetPDF.aspx/c04111468.pdf>
>
> It shows only a 600W power supply which is not going to be enough for 2 GPUs unfortunately. You could potentially pull the Quadro 600 out and replace it with a GeForce GPU but even then that might be close to the limit on power. It can probably run a GTX1080 fine but I'd be wary going to a 1080TI. It depends on how much else in the box, hard drives etc.
>
> Note the 'modern' M6000 you talk about is actually a generation old based on the Maxwell architecture. It's actually equivalent to the old Titan-X which is the same line as the GTX980 / 980TI. Your options right now on GPU would be GTX1080/1080TI/Titan-Xp or a Quadro GP100 or Quadro P6000. The later two are very expensive. If you don't want to buy a new machine my advice would be to get a GTX1080 and replace the Quadro 600 in your existing Z420. If you want more GPUs than this then you need to go with a machine capable of supporting multiple GPUs. For example the Exxact systems listed on the AMBER site: http://ambermd.org/gpus/recommended_hardware.htm#hardware <http://ambermd.org/gpus/recommended_hardware.htm#hardware> which can support up to 4 GPUs in a desktop format. I'd recommend going with GTX1080TI for these since they give the best bang for the buck.
>
> Alternatively you could build you own system. There is a shopping list on the same page of the AMBER website: http://ambermd.org/gpus/recommended_hardware.htm#diy <http://ambermd.org/gpus/recommended_hardware.htm#diy> although I need to update this a little.
>
> Hope that helps
>
> All the best
> Ross
>
>> On Jul 12, 2017, at 4:46 AM, James Starlight <jmsstarlight.gmail.com> wrote:
>>
>> Dear Amber Users!
>>
>> I wonder to ask your suggestions regarding an optimal system for the
>> upper middle-range multi-GPU work-station. Now I have some a good HP
>> desktop (HP Z420)
>> equipped with the following devises:
>>
>> CPU: Intel Xeon E5-1620 3.60Ghz 10MB 1600 4C
>> 6GB DDR3-1600 ECC
>> NVIDIA Quadro 600 1GB Graphics
>>
>>
>> To adapt this machine for MD simulations I would like to install 64 GB
>> of the RAM and put 2-3 new GPUs. Due to my scientific tasks I need to
>> run 2-3 independent MD jobs with Amber for simulations of the GPRC
>> systems (60.000 atoms, with membrane in NPT ensemble), assuring that I
>> would like to obtain performance in order of 50 ns/day
>>
>>
>> For my case will it be good to replace existing QUADRO 600 on
>> up-to-date gamers GTX cards (e.g GTX 1080 or TITAN X) or prefer a
>> modern QUADRO (M6000) with a less gpu memory?
>>
>> I thank you so much for the suggestions!
>>
>> Gleb
>>
>> _______________________________________________
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>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Wed Jul 12 2017 - 07:00:03 PDT
